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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Deep Architectures and Deep Learning in Chemoinformatics: The Prediction of Aqueous Solubility for Drug-Like MoleculesLusci, Alessandro ; Pollastri, Gianluca ; Baldi, PierreJournal of chemical information and modeling, 2013-07, Vol.53 (7), p.1563-1575 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 2 |
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admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET PropertiesCheng, Feixiong ; Li, Weihua ; Zhou, Yadi ; Shen, Jie ; Wu, Zengrui ; Liu, Guixia ; Lee, Philip W ; Tang, YunJournal of chemical information and modeling, 2012-11, Vol.52 (11), p.3099-3105 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 3 |
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Comparative Studies on Some Metrics for External Validation of QSPR ModelsRoy, Kunal ; Mitra, Indrani ; Kar, Supratik ; Ojha, Probir Kumar ; Das, Rudra Narayan ; Kabir, HumayunJournal of chemical information and modeling, 2012-02, Vol.52 (2), p.396-408 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 4 |
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TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics TrajectoriesBrehm, Martin ; Kirchner, BarbaraJournal of chemical information and modeling, 2011-08, Vol.51 (8), p.2007-2023 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 5 |
Material Type: Artigo
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Fully homomorphic SIMD operationsSmart, N. P. ; Vercauteren, F.Designs, codes, and cryptography, 2014-04, Vol.71 (1), p.57-81 [Periódico revisado por pares]Boston: Springer USTexto completo disponível |
| 6 |
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Combining Global and Local Measures for Structure-Based Druggability PredictionsVolkamer, Andrea ; Kuhn, Daniel ; Grombacher, Thomas ; Rippmann, Friedrich ; Rarey, MatthiasJournal of chemical information and modeling, 2012-02, Vol.52 (2), p.360-372 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 7 |
Material Type: Artigo
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Extended-Connectivity FingerprintsRogers, David ; Hahn, MathewJournal of chemical information and modeling, 2010-05, Vol.50 (5), p.742-754 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 8 |
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Consensus Docking: Improving the Reliability of Docking in a Virtual Screening ContextHouston, Douglas R ; Walkinshaw, Malcolm DJournal of chemical information and modeling, 2013-02, Vol.53 (2), p.384-390 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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NNScore 2.0: A Neural-Network Receptor–Ligand Scoring FunctionDurrant, Jacob D ; McCammon, J. AndrewJournal of chemical information and modeling, 2011-11, Vol.51 (11), p.2897-2903 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 10 |
Material Type: Artigo
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Freely Available Conformer Generation Methods: How Good Are They?Ebejer, Jean-Paul ; Morris, Garrett M. ; Deane, Charlotte M.Journal of chemical information and modeling, 2012-05, Vol.52 (5), p.1146-1158 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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